SCHEMBL4671052

SCHEMBL4671052

COc1ccc(Oc2coc(C(=O)C=C(O)c3nc[nH]n3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.33
MAPT P10636 5/20 0.33
HPGD P15428 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RECQL P46063 1/20 0.33
ALPL P05186 1/20 0.32
CA9 Q16790 1/20 0.32
PARP10 Q53GL7 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
RAF1 P04049 1/20 0.32
CHEK2 O96017 1/20 0.32
PTGER4 P35408 1/20 0.31
MCL1 Q07820 1/20 0.31
RNF4 P78317 1/20 0.31
CYP3A4 P08684 1/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 2/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4675372 0.91 LMNA (0.38) HPGDALDH1A1MEN1KMT2ARAF1
SCHEMBL4673353 0.90 ALDH1A1 (0.34) MAPTALDH1A1MEN1KMT2ACYP3A4
SCHEMBL4673894 0.89 RAB9A (0.40) MAPTHPGDALDH1A1KMT2APTGER4
SCHEMBL4676171 0.89 PARP10 (0.33) ALDH1A1PARP10CYP3A4TDP1
SCHEMBL4675663 0.89 CDH1 (0.38) MAPTHPGDRECQLMEN1KMT2A
SCHEMBL4677273 0.86 LTA4H (0.37) ALDH1A1MEN1KMT2ACHEK2SMN1; SMN2
SCHEMBL4673377 0.86 KMT2A (0.37) MAPTHPGDALDH1A1ALPLMEN1
SCHEMBL4671753 0.85 KDM5A (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2POLB
SCHEMBL4671142 0.84 ALDH1A1 (0.32) NR4A2MAPTHPGDALDH1A1RECQL
SCHEMBL4675460 0.82 LMNA (0.35) NR4A2CHEK2CYP3A4KDM4ELMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1142872-B1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO (JP) 2008-10-15 EP disclosed
US-7098201-B2 Heteroaromatic derivatives having an inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2006-08-29 US disclosed
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase FUJISHITA TOSHIO (JP) 2004-01-01 US disclosed
US-6645956-B1 1-(5-(4-fluorobenzyl)furan-2-yl)-3-hydroxy-3-(1H-1,2,4-triazol-3 -yl)-propenone; viricides; AIDS treatment SHIONOGI & CO., LTD. (JP) 2003-11-11 US disclosed
EP-1142872-A1 AROMATIC HETEROCYCLE COMPOUNDS HAVING HIV INTEGRASE INHIBITING ACTIVITIES SHIONOGI & CO., LTD. (JP) 2001-10-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040002485-A1 Heteroaromatic derivatives having an inhibitory activity against HIV integrase RCOR1, BCOR, CYP8B1 NR4A2 454/4885MAPT 205/4885HPGD 2816/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.